USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 137 THR OG1 : rot 180:sc= 0.602 USER MOD Set 1.2: A 146 THR OG1 : rot -66:sc= 0.665 USER MOD Set 2.1: A 122 CYS SG : rot -164:sc= 0.879 USER MOD Set 2.2: A 136 CYS SG : rot 88:sc= 0.78 USER MOD Set 3.1: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 113 MET CE :methyl -167:sc= 0 (180deg=-0.164) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.357 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.2!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc=-0.00495 K(o=-0.005,f=-0.99) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 82:sc= 0.145 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 160:sc= 0.0593 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 97:sc= -0.0071 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot -30:sc= 1.17 USER MOD Single : A 163 THR OG1 : rot 79:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 101 -2.992 7.510 5.558 1.00 0.00 N ATOM 2 CA LEU A 101 -4.270 7.126 6.147 1.00 0.00 C ATOM 3 C LEU A 101 -4.169 7.023 7.663 1.00 0.00 C ATOM 4 O LEU A 101 -5.044 7.495 8.387 1.00 0.00 O ATOM 5 CB LEU A 101 -4.749 5.796 5.552 1.00 0.00 C ATOM 6 CG LEU A 101 -5.163 5.852 4.076 1.00 0.00 C ATOM 7 CD1 LEU A 101 -5.473 4.451 3.566 1.00 0.00 C ATOM 8 CD2 LEU A 101 -6.373 6.762 3.922 1.00 0.00 C ATOM 0 HA LEU A 101 -4.998 7.902 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.953 5.060 5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.596 5.439 6.137 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.342 6.256 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.766 4.502 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.587 3.823 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.288 4.023 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.667 6.802 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.199 6.372 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.120 7.765 4.266 1.00 0.00 H new ATOM 20 N CYS A 102 -3.095 6.400 8.137 1.00 0.00 N ATOM 21 CA CYS A 102 -2.866 6.254 9.571 1.00 0.00 C ATOM 22 C CYS A 102 -2.660 7.609 10.235 1.00 0.00 C ATOM 23 O CYS A 102 -3.134 7.844 11.348 1.00 0.00 O ATOM 24 CB CYS A 102 -1.581 5.427 9.625 1.00 0.00 C ATOM 25 SG CYS A 102 -1.778 3.703 9.117 1.00 0.00 S ATOM 0 H CYS A 102 -2.370 5.988 7.550 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.704 5.794 10.094 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -0.834 5.898 8.986 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.191 5.451 10.643 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.633 3.093 9.197 1.00 0.00 H new ATOM 31 N LYS A 103 -1.950 8.497 9.549 1.00 0.00 N ATOM 32 CA LYS A 103 -1.740 9.855 10.042 1.00 0.00 C ATOM 33 C LYS A 103 -3.064 10.578 10.246 1.00 0.00 C ATOM 34 O LYS A 103 -3.270 11.240 11.264 1.00 0.00 O ATOM 35 CB LYS A 103 -0.854 10.643 9.074 1.00 0.00 C ATOM 36 CG LYS A 103 0.614 10.238 9.093 1.00 0.00 C ATOM 37 CD LYS A 103 1.433 11.082 8.130 1.00 0.00 C ATOM 38 CE LYS A 103 2.911 10.725 8.197 1.00 0.00 C ATOM 39 NZ LYS A 103 3.717 11.505 7.220 1.00 0.00 N ATOM 0 H LYS A 103 -1.510 8.302 8.650 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.238 9.786 11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.240 10.517 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -0.929 11.704 9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.010 10.347 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.706 9.185 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.067 10.935 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.301 12.138 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.284 10.910 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 103 3.036 9.660 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.717 11.232 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.379 11.309 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.619 12.521 7.421 1.00 0.00 H new ATOM 53 N ASN A 104 -3.961 10.448 9.274 1.00 0.00 N ATOM 54 CA ASN A 104 -5.266 11.094 9.344 1.00 0.00 C ATOM 55 C ASN A 104 -6.095 10.541 10.497 1.00 0.00 C ATOM 56 O ASN A 104 -6.777 11.288 11.198 1.00 0.00 O ATOM 57 CB ASN A 104 -6.026 10.952 8.037 1.00 0.00 C ATOM 58 CG ASN A 104 -5.485 11.809 6.926 1.00 0.00 C ATOM 59 OD1 ASN A 104 -4.781 12.797 7.164 1.00 0.00 O ATOM 60 ND2 ASN A 104 -5.875 11.483 5.721 1.00 0.00 N ATOM 0 H ASN A 104 -3.807 9.900 8.427 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.090 12.155 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.001 9.908 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.072 11.209 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.598 12.055 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.456 10.657 5.579 1.00 0.00 H new ATOM 67 N LEU A 105 -6.029 9.227 10.688 1.00 0.00 N ATOM 68 CA LEU A 105 -6.759 8.574 11.769 1.00 0.00 C ATOM 69 C LEU A 105 -6.275 9.055 13.131 1.00 0.00 C ATOM 70 O LEU A 105 -7.076 9.313 14.028 1.00 0.00 O ATOM 71 CB LEU A 105 -6.615 7.051 11.658 1.00 0.00 C ATOM 72 CG LEU A 105 -7.340 6.411 10.468 1.00 0.00 C ATOM 73 CD1 LEU A 105 -6.934 4.950 10.333 1.00 0.00 C ATOM 74 CD2 LEU A 105 -8.844 6.537 10.660 1.00 0.00 C ATOM 0 H LEU A 105 -5.478 8.594 10.109 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.812 8.839 11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.555 6.806 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.989 6.599 12.577 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.059 6.929 9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.454 4.505 9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.858 4.885 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.199 4.413 11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.358 6.082 9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.137 6.029 11.579 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.115 7.591 10.725 1.00 0.00 H new ATOM 86 N LEU A 106 -4.960 9.173 13.278 1.00 0.00 N ATOM 87 CA LEU A 106 -4.367 9.620 14.533 1.00 0.00 C ATOM 88 C LEU A 106 -4.739 11.066 14.834 1.00 0.00 C ATOM 89 O LEU A 106 -4.962 11.432 15.988 1.00 0.00 O ATOM 90 CB LEU A 106 -2.842 9.461 14.485 1.00 0.00 C ATOM 91 CG LEU A 106 -2.335 8.014 14.510 1.00 0.00 C ATOM 92 CD1 LEU A 106 -0.842 7.978 14.219 1.00 0.00 C ATOM 93 CD2 LEU A 106 -2.634 7.394 15.868 1.00 0.00 C ATOM 0 H LEU A 106 -4.284 8.965 12.543 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.763 8.997 15.335 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.471 9.944 13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.410 9.995 15.332 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.846 7.437 13.740 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.492 6.946 14.239 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.653 8.406 13.235 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.310 8.556 14.974 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.274 6.365 15.886 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.133 7.967 16.648 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.710 7.405 16.044 1.00 0.00 H new ATOM 105 N GLN A 107 -4.807 11.884 13.789 1.00 0.00 N ATOM 106 CA GLN A 107 -5.238 13.271 13.928 1.00 0.00 C ATOM 107 C GLN A 107 -6.690 13.353 14.379 1.00 0.00 C ATOM 108 O GLN A 107 -7.039 14.164 15.238 1.00 0.00 O ATOM 109 CB GLN A 107 -5.063 14.021 12.606 1.00 0.00 C ATOM 110 CG GLN A 107 -3.621 14.342 12.257 1.00 0.00 C ATOM 111 CD GLN A 107 -3.483 14.973 10.884 1.00 0.00 C ATOM 112 OE1 GLN A 107 -4.461 15.095 10.142 1.00 0.00 O ATOM 113 NE2 GLN A 107 -2.265 15.375 10.539 1.00 0.00 N ATOM 0 H GLN A 107 -4.569 11.610 12.836 1.00 0.00 H new ATOM 0 HA GLN A 107 -4.613 13.738 14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.495 13.424 11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.629 14.951 12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.211 15.018 13.007 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.029 13.427 12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.486 15.254 11.186 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.109 15.805 9.627 1.00 0.00 H new ATOM 122 N GLU A 108 -7.534 12.509 13.796 1.00 0.00 N ATOM 123 CA GLU A 108 -8.947 12.470 14.152 1.00 0.00 C ATOM 124 C GLU A 108 -9.140 12.018 15.595 1.00 0.00 C ATOM 125 O GLU A 108 -10.068 12.456 16.273 1.00 0.00 O ATOM 126 CB GLU A 108 -9.714 11.544 13.206 1.00 0.00 C ATOM 127 CG GLU A 108 -9.904 12.099 11.801 1.00 0.00 C ATOM 128 CD GLU A 108 -10.545 11.086 10.895 1.00 0.00 C ATOM 129 OE1 GLU A 108 -10.761 9.980 11.331 1.00 0.00 O ATOM 130 OE2 GLU A 108 -10.921 11.446 9.804 1.00 0.00 O ATOM 0 H GLU A 108 -7.263 11.842 13.074 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.342 13.481 14.055 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.185 10.593 13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.693 11.335 13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -10.523 12.996 11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.939 12.397 11.392 1.00 0.00 H new ATOM 137 N TYR A 109 -8.256 11.140 16.057 1.00 0.00 N ATOM 138 CA TYR A 109 -8.281 10.685 17.441 1.00 0.00 C ATOM 139 C TYR A 109 -7.853 11.793 18.395 1.00 0.00 C ATOM 140 O TYR A 109 -8.496 12.029 19.418 1.00 0.00 O ATOM 141 CB TYR A 109 -7.378 9.463 17.620 1.00 0.00 C ATOM 142 CG TYR A 109 -7.332 8.936 19.037 1.00 0.00 C ATOM 143 CD1 TYR A 109 -8.365 8.161 19.543 1.00 0.00 C ATOM 144 CD2 TYR A 109 -6.254 9.212 19.864 1.00 0.00 C ATOM 145 CE1 TYR A 109 -8.329 7.677 20.836 1.00 0.00 C ATOM 146 CE2 TYR A 109 -6.206 8.733 21.159 1.00 0.00 C ATOM 147 CZ TYR A 109 -7.246 7.966 21.642 1.00 0.00 C ATOM 148 OH TYR A 109 -7.203 7.485 22.931 1.00 0.00 O ATOM 0 H TYR A 109 -7.513 10.729 15.492 1.00 0.00 H new ATOM 0 HA TYR A 109 -9.307 10.407 17.680 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.723 8.668 16.959 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.367 9.722 17.306 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -9.213 7.932 18.914 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.438 9.812 19.489 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -9.143 7.076 21.214 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -5.359 8.958 21.790 1.00 0.00 H new ATOM 0 HH TYR A 109 -6.373 7.778 23.362 1.00 0.00 H new ATOM 158 N ALA A 110 -6.764 12.474 18.052 1.00 0.00 N ATOM 159 CA ALA A 110 -6.249 13.561 18.875 1.00 0.00 C ATOM 160 C ALA A 110 -7.309 14.631 19.100 1.00 0.00 C ATOM 161 O ALA A 110 -7.496 15.110 20.218 1.00 0.00 O ATOM 162 CB ALA A 110 -5.009 14.166 18.238 1.00 0.00 C ATOM 0 H ALA A 110 -6.221 12.291 17.208 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.978 13.149 19.847 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.637 14.976 18.865 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.240 13.400 18.140 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.260 14.556 17.252 1.00 0.00 H new ATOM 168 N GLN A 111 -8.002 15.005 18.030 1.00 0.00 N ATOM 169 CA GLN A 111 -9.069 15.995 18.114 1.00 0.00 C ATOM 170 C GLN A 111 -10.241 15.476 18.935 1.00 0.00 C ATOM 171 O GLN A 111 -10.849 16.218 19.706 1.00 0.00 O ATOM 172 CB GLN A 111 -9.551 16.385 16.713 1.00 0.00 C ATOM 173 CG GLN A 111 -8.548 17.196 15.912 1.00 0.00 C ATOM 174 CD GLN A 111 -9.024 17.472 14.499 1.00 0.00 C ATOM 175 OE1 GLN A 111 -10.075 16.983 14.076 1.00 0.00 O ATOM 176 NE2 GLN A 111 -8.249 18.255 13.756 1.00 0.00 N ATOM 0 H GLN A 111 -7.843 14.636 17.092 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.663 16.876 18.612 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.793 15.478 16.159 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -10.474 16.958 16.805 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.361 18.142 16.421 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.599 16.661 15.875 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.388 18.638 14.146 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.515 18.473 12.796 1.00 0.00 H new ATOM 185 N LYS A 112 -10.553 14.195 18.765 1.00 0.00 N ATOM 186 CA LYS A 112 -11.605 13.553 19.546 1.00 0.00 C ATOM 187 C LYS A 112 -11.307 13.629 21.038 1.00 0.00 C ATOM 188 O LYS A 112 -12.221 13.656 21.863 1.00 0.00 O ATOM 189 CB LYS A 112 -11.776 12.095 19.117 1.00 0.00 C ATOM 190 CG LYS A 112 -12.874 11.345 19.861 1.00 0.00 C ATOM 191 CD LYS A 112 -13.031 9.928 19.331 1.00 0.00 C ATOM 192 CE LYS A 112 -14.139 9.183 20.063 1.00 0.00 C ATOM 193 NZ LYS A 112 -14.299 7.792 19.562 1.00 0.00 N ATOM 0 H LYS A 112 -10.092 13.581 18.093 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.535 14.089 19.357 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.992 12.066 18.049 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.831 11.572 19.265 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.640 11.314 20.925 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -13.818 11.881 19.758 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -13.254 9.959 18.264 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.091 9.389 19.445 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -13.918 9.161 21.130 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -15.079 9.722 19.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -15.063 7.320 20.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -14.535 7.813 18.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.410 7.269 19.699 1.00 0.00 H new ATOM 207 N MET A 113 -10.024 13.664 21.379 1.00 0.00 N ATOM 208 CA MET A 113 -9.601 13.658 22.774 1.00 0.00 C ATOM 209 C MET A 113 -9.240 15.060 23.248 1.00 0.00 C ATOM 210 O MET A 113 -8.641 15.233 24.307 1.00 0.00 O ATOM 211 CB MET A 113 -8.414 12.716 22.963 1.00 0.00 C ATOM 212 CG MET A 113 -8.697 11.266 22.594 1.00 0.00 C ATOM 213 SD MET A 113 -9.917 10.499 23.679 1.00 0.00 S ATOM 214 CE MET A 113 -8.957 10.291 25.175 1.00 0.00 C ATOM 0 H MET A 113 -9.257 13.697 20.707 1.00 0.00 H new ATOM 0 HA MET A 113 -10.437 13.303 23.377 1.00 0.00 H new ATOM 0 HB2 MET A 113 -7.581 13.076 22.360 1.00 0.00 H new ATOM 0 HB3 MET A 113 -8.095 12.758 24.004 1.00 0.00 H new ATOM 0 HG2 MET A 113 -9.052 11.220 21.564 1.00 0.00 H new ATOM 0 HG3 MET A 113 -7.769 10.696 22.637 1.00 0.00 H new ATOM 0 HE1 MET A 113 -9.488 9.629 25.859 1.00 0.00 H new ATOM 0 HE2 MET A 113 -7.988 9.857 24.928 1.00 0.00 H new ATOM 0 HE3 MET A 113 -8.810 11.261 25.651 1.00 0.00 H new ATOM 224 N ASN A 114 -9.610 16.059 22.453 1.00 0.00 N ATOM 225 CA ASN A 114 -9.338 17.451 22.795 1.00 0.00 C ATOM 226 C ASN A 114 -7.844 17.693 22.967 1.00 0.00 C ATOM 227 O ASN A 114 -7.424 18.436 23.856 1.00 0.00 O ATOM 228 CB ASN A 114 -10.086 17.871 24.047 1.00 0.00 C ATOM 229 CG ASN A 114 -11.577 17.938 23.867 1.00 0.00 C ATOM 230 OD1 ASN A 114 -12.080 18.169 22.762 1.00 0.00 O ATOM 231 ND2 ASN A 114 -12.283 17.821 24.963 1.00 0.00 N ATOM 0 H ASN A 114 -10.099 15.931 21.567 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.694 18.062 21.966 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -9.857 17.169 24.849 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.723 18.848 24.366 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.298 17.921 24.929 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.819 17.630 25.851 1.00 0.00 H new ATOM 238 N TYR A 115 -7.045 17.065 22.112 1.00 0.00 N ATOM 239 CA TYR A 115 -5.596 17.226 22.158 1.00 0.00 C ATOM 240 C TYR A 115 -5.092 18.004 20.949 1.00 0.00 C ATOM 241 O TYR A 115 -5.815 18.190 19.972 1.00 0.00 O ATOM 242 CB TYR A 115 -4.908 15.861 22.228 1.00 0.00 C ATOM 243 CG TYR A 115 -5.180 15.103 23.508 1.00 0.00 C ATOM 244 CD1 TYR A 115 -5.464 15.774 24.688 1.00 0.00 C ATOM 245 CD2 TYR A 115 -5.154 13.715 23.532 1.00 0.00 C ATOM 246 CE1 TYR A 115 -5.713 15.087 25.860 1.00 0.00 C ATOM 247 CE2 TYR A 115 -5.402 13.018 24.697 1.00 0.00 C ATOM 248 CZ TYR A 115 -5.681 13.707 25.861 1.00 0.00 C ATOM 249 OH TYR A 115 -5.930 13.016 27.024 1.00 0.00 O ATOM 0 H TYR A 115 -7.376 16.439 21.378 1.00 0.00 H new ATOM 0 HA TYR A 115 -5.351 17.793 23.056 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.236 15.256 21.382 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -3.832 16.001 22.122 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.491 16.854 24.691 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.936 13.172 22.624 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -5.931 15.626 26.770 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.378 11.938 24.698 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.869 12.053 26.852 1.00 0.00 H new ATOM 259 N ALA A 116 -3.843 18.457 21.023 1.00 0.00 N ATOM 260 CA ALA A 116 -3.228 19.187 19.922 1.00 0.00 C ATOM 261 C ALA A 116 -2.869 18.253 18.773 1.00 0.00 C ATOM 262 O ALA A 116 -2.821 17.035 18.944 1.00 0.00 O ATOM 263 CB ALA A 116 -1.993 19.934 20.405 1.00 0.00 C ATOM 0 H ALA A 116 -3.238 18.330 21.835 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.954 19.911 19.552 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.545 20.474 19.571 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.277 20.641 21.185 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.271 19.223 20.806 1.00 0.00 H new ATOM 269 N ILE A 117 -2.617 18.832 17.605 1.00 0.00 N ATOM 270 CA ILE A 117 -2.274 18.051 16.421 1.00 0.00 C ATOM 271 C ILE A 117 -1.045 17.187 16.670 1.00 0.00 C ATOM 272 O ILE A 117 -0.003 17.682 17.097 1.00 0.00 O ATOM 273 CB ILE A 117 -2.018 18.955 15.202 1.00 0.00 C ATOM 274 CG1 ILE A 117 -3.303 19.684 14.798 1.00 0.00 C ATOM 275 CG2 ILE A 117 -1.476 18.139 14.039 1.00 0.00 C ATOM 276 CD1 ILE A 117 -3.096 20.747 13.743 1.00 0.00 C ATOM 0 H ILE A 117 -2.644 19.840 17.452 1.00 0.00 H new ATOM 0 HA ILE A 117 -3.129 17.408 16.209 1.00 0.00 H new ATOM 0 HB ILE A 117 -1.271 19.701 15.474 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -4.023 18.954 14.428 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.742 20.144 15.683 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -1.301 18.794 13.185 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -0.539 17.666 14.332 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.200 17.371 13.765 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.051 21.218 13.509 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.401 21.500 14.116 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -2.687 20.290 12.842 1.00 0.00 H new ATOM 288 N PRO A 118 -1.173 15.892 16.397 1.00 0.00 N ATOM 289 CA PRO A 118 -0.099 14.944 16.664 1.00 0.00 C ATOM 290 C PRO A 118 1.136 15.263 15.831 1.00 0.00 C ATOM 291 O PRO A 118 1.034 15.836 14.747 1.00 0.00 O ATOM 292 CB PRO A 118 -0.705 13.578 16.300 1.00 0.00 C ATOM 293 CG PRO A 118 -1.786 13.887 15.301 1.00 0.00 C ATOM 294 CD PRO A 118 -2.360 15.242 15.825 1.00 0.00 C ATOM 0 HA PRO A 118 0.244 14.974 17.698 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.047 12.913 15.875 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.111 13.079 17.180 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -1.389 13.979 14.290 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.548 13.108 15.274 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.799 15.834 15.022 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.139 15.091 16.572 1.00 0.00 H new ATOM 302 N LEU A 119 2.303 14.888 16.345 1.00 0.00 N ATOM 303 CA LEU A 119 3.565 15.184 15.677 1.00 0.00 C ATOM 304 C LEU A 119 4.178 13.927 15.074 1.00 0.00 C ATOM 305 O LEU A 119 4.151 12.858 15.685 1.00 0.00 O ATOM 306 CB LEU A 119 4.544 15.837 16.660 1.00 0.00 C ATOM 307 CG LEU A 119 4.061 17.150 17.289 1.00 0.00 C ATOM 308 CD1 LEU A 119 5.110 17.685 18.254 1.00 0.00 C ATOM 309 CD2 LEU A 119 3.772 18.162 16.190 1.00 0.00 C ATOM 0 H LEU A 119 2.401 14.378 17.223 1.00 0.00 H new ATOM 0 HA LEU A 119 3.362 15.881 14.864 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.759 15.127 17.459 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.483 16.026 16.141 1.00 0.00 H new ATOM 0 HG LEU A 119 3.144 16.969 17.850 1.00 0.00 H new ATOM 0 HD11 LEU A 119 4.757 18.617 18.695 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.285 16.954 19.043 1.00 0.00 H new ATOM 0 HD13 LEU A 119 6.040 17.868 17.716 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.429 19.095 16.636 1.00 0.00 H new ATOM 0 HD22 LEU A 119 4.681 18.346 15.617 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.999 17.770 15.529 1.00 0.00 H new ATOM 321 N TYR A 120 4.729 14.059 13.873 1.00 0.00 N ATOM 322 CA TYR A 120 5.297 12.922 13.160 1.00 0.00 C ATOM 323 C TYR A 120 6.751 13.180 12.781 1.00 0.00 C ATOM 324 O TYR A 120 7.036 13.957 11.869 1.00 0.00 O ATOM 325 CB TYR A 120 4.475 12.611 11.908 1.00 0.00 C ATOM 326 CG TYR A 120 3.008 12.363 12.183 1.00 0.00 C ATOM 327 CD1 TYR A 120 2.098 13.410 12.187 1.00 0.00 C ATOM 328 CD2 TYR A 120 2.539 11.083 12.435 1.00 0.00 C ATOM 329 CE1 TYR A 120 0.757 13.189 12.438 1.00 0.00 C ATOM 330 CE2 TYR A 120 1.201 10.851 12.686 1.00 0.00 C ATOM 331 CZ TYR A 120 0.312 11.907 12.687 1.00 0.00 C ATOM 332 OH TYR A 120 -1.021 11.680 12.937 1.00 0.00 O ATOM 0 H TYR A 120 4.794 14.945 13.372 1.00 0.00 H new ATOM 0 HA TYR A 120 5.266 12.061 13.827 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.568 13.442 11.209 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.896 11.733 11.418 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.443 14.414 11.991 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.231 10.254 12.435 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.061 14.015 12.439 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.852 9.848 12.881 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.510 11.638 12.089 1.00 0.00 H new ATOM 342 N GLN A 121 7.666 12.523 13.485 1.00 0.00 N ATOM 343 CA GLN A 121 9.093 12.721 13.260 1.00 0.00 C ATOM 344 C GLN A 121 9.759 11.436 12.786 1.00 0.00 C ATOM 345 O GLN A 121 9.435 10.346 13.259 1.00 0.00 O ATOM 346 CB GLN A 121 9.774 13.213 14.539 1.00 0.00 C ATOM 347 CG GLN A 121 9.304 14.580 15.008 1.00 0.00 C ATOM 348 CD GLN A 121 9.977 15.014 16.296 1.00 0.00 C ATOM 349 OE1 GLN A 121 10.841 14.310 16.829 1.00 0.00 O ATOM 350 NE2 GLN A 121 9.585 16.175 16.807 1.00 0.00 N ATOM 0 H GLN A 121 7.445 11.848 14.217 1.00 0.00 H new ATOM 0 HA GLN A 121 9.203 13.476 12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.597 12.488 15.333 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.851 13.248 14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.505 15.317 14.230 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.224 14.559 15.155 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.868 16.725 16.333 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.001 16.517 17.673 1.00 0.00 H new ATOM 359 N CYS A 122 10.690 11.569 11.848 1.00 0.00 N ATOM 360 CA CYS A 122 11.486 10.435 11.392 1.00 0.00 C ATOM 361 C CYS A 122 12.975 10.702 11.571 1.00 0.00 C ATOM 362 O CYS A 122 13.404 11.852 11.654 1.00 0.00 O ATOM 363 CB CYS A 122 11.130 10.348 9.908 1.00 0.00 C ATOM 364 SG CYS A 122 9.370 10.099 9.573 1.00 0.00 S ATOM 0 H CYS A 122 10.912 12.452 11.388 1.00 0.00 H new ATOM 0 HA CYS A 122 11.282 9.518 11.945 1.00 0.00 H new ATOM 0 HB2 CYS A 122 11.455 11.264 9.415 1.00 0.00 H new ATOM 0 HB3 CYS A 122 11.692 9.528 9.460 1.00 0.00 H new ATOM 0 HG CYS A 122 9.214 9.707 8.344 1.00 0.00 H new ATOM 370 N GLN A 123 13.759 9.630 11.630 1.00 0.00 N ATOM 371 CA GLN A 123 15.196 9.743 11.851 1.00 0.00 C ATOM 372 C GLN A 123 15.937 8.538 11.288 1.00 0.00 C ATOM 373 O GLN A 123 15.521 7.396 11.480 1.00 0.00 O ATOM 374 CB GLN A 123 15.498 9.882 13.346 1.00 0.00 C ATOM 375 CG GLN A 123 16.970 10.076 13.669 1.00 0.00 C ATOM 376 CD GLN A 123 17.212 10.309 15.148 1.00 0.00 C ATOM 377 OE1 GLN A 123 16.278 10.295 15.953 1.00 0.00 O ATOM 378 NE2 GLN A 123 18.471 10.530 15.512 1.00 0.00 N ATOM 0 H GLN A 123 13.423 8.672 11.528 1.00 0.00 H new ATOM 0 HA GLN A 123 15.542 10.635 11.329 1.00 0.00 H new ATOM 0 HB2 GLN A 123 14.936 10.728 13.741 1.00 0.00 H new ATOM 0 HB3 GLN A 123 15.139 8.992 13.862 1.00 0.00 H new ATOM 0 HG2 GLN A 123 17.529 9.198 13.346 1.00 0.00 H new ATOM 0 HG3 GLN A 123 17.355 10.924 13.103 1.00 0.00 H new ATOM 0 HE21 GLN A 123 19.212 10.532 14.811 1.00 0.00 H new ATOM 0 HE22 GLN A 123 18.697 10.697 16.493 1.00 0.00 H new ATOM 387 N LYS A 124 17.037 8.800 10.590 1.00 0.00 N ATOM 388 CA LYS A 124 17.897 7.735 10.088 1.00 0.00 C ATOM 389 C LYS A 124 19.225 7.703 10.833 1.00 0.00 C ATOM 390 O LYS A 124 19.844 8.740 11.064 1.00 0.00 O ATOM 391 CB LYS A 124 18.141 7.906 8.587 1.00 0.00 C ATOM 392 CG LYS A 124 18.872 9.188 8.211 1.00 0.00 C ATOM 393 CD LYS A 124 18.979 9.341 6.702 1.00 0.00 C ATOM 394 CE LYS A 124 19.640 10.658 6.322 1.00 0.00 C ATOM 395 NZ LYS A 124 19.710 10.842 4.848 1.00 0.00 N ATOM 0 H LYS A 124 17.354 9.742 10.359 1.00 0.00 H new ATOM 0 HA LYS A 124 17.387 6.787 10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 124 18.717 7.054 8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 124 17.181 7.884 8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 124 18.345 10.046 8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 124 19.870 9.182 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 124 19.554 8.512 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 124 17.985 9.290 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 124 19.083 11.484 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 124 20.646 10.692 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 20.167 11.751 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 20.263 10.068 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 18.749 10.835 4.451 1.00 0.00 H new ATOM 409 N VAL A 125 19.658 6.503 11.209 1.00 0.00 N ATOM 410 CA VAL A 125 20.878 6.338 11.988 1.00 0.00 C ATOM 411 C VAL A 125 21.847 5.385 11.301 1.00 0.00 C ATOM 412 O VAL A 125 21.486 4.259 10.957 1.00 0.00 O ATOM 413 CB VAL A 125 20.577 5.815 13.405 1.00 0.00 C ATOM 414 CG1 VAL A 125 21.868 5.623 14.187 1.00 0.00 C ATOM 415 CG2 VAL A 125 19.648 6.769 14.140 1.00 0.00 C ATOM 0 H VAL A 125 19.180 5.630 10.986 1.00 0.00 H new ATOM 0 HA VAL A 125 21.337 7.324 12.064 1.00 0.00 H new ATOM 0 HB VAL A 125 20.079 4.849 13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 125 21.637 5.253 15.186 1.00 0.00 H new ATOM 0 HG12 VAL A 125 22.502 4.902 13.671 1.00 0.00 H new ATOM 0 HG13 VAL A 125 22.391 6.576 14.265 1.00 0.00 H new ATOM 0 HG21 VAL A 125 19.447 6.383 15.139 1.00 0.00 H new ATOM 0 HG22 VAL A 125 20.120 7.749 14.218 1.00 0.00 H new ATOM 0 HG23 VAL A 125 18.711 6.860 13.591 1.00 0.00 H new ATOM 425 N GLU A 126 23.079 5.841 11.104 1.00 0.00 N ATOM 426 CA GLU A 126 24.127 4.998 10.541 1.00 0.00 C ATOM 427 C GLU A 126 24.858 4.225 11.631 1.00 0.00 C ATOM 428 O GLU A 126 25.402 4.814 12.565 1.00 0.00 O ATOM 429 CB GLU A 126 25.121 5.843 9.740 1.00 0.00 C ATOM 430 CG GLU A 126 26.234 5.044 9.077 1.00 0.00 C ATOM 431 CD GLU A 126 27.178 5.941 8.326 1.00 0.00 C ATOM 432 OE1 GLU A 126 26.969 7.129 8.333 1.00 0.00 O ATOM 433 OE2 GLU A 126 28.170 5.451 7.840 1.00 0.00 O ATOM 0 H GLU A 126 23.377 6.791 11.326 1.00 0.00 H new ATOM 0 HA GLU A 126 23.653 4.279 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 126 24.576 6.391 8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.568 6.583 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 126 26.784 4.486 9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 126 25.802 4.313 8.393 1.00 0.00 H new ATOM 440 N THR A 127 24.866 2.902 11.507 1.00 0.00 N ATOM 441 CA THR A 127 25.477 2.043 12.513 1.00 0.00 C ATOM 442 C THR A 127 26.995 2.031 12.381 1.00 0.00 C ATOM 443 O THR A 127 27.551 2.626 11.457 1.00 0.00 O ATOM 444 CB THR A 127 24.952 0.597 12.416 1.00 0.00 C ATOM 445 OG1 THR A 127 25.315 0.039 11.145 1.00 0.00 O ATOM 446 CG2 THR A 127 23.439 0.568 12.565 1.00 0.00 C ATOM 0 H THR A 127 24.456 2.402 10.719 1.00 0.00 H new ATOM 0 HA THR A 127 25.204 2.455 13.484 1.00 0.00 H new ATOM 0 HB THR A 127 25.397 0.010 13.219 1.00 0.00 H new ATOM 0 HG1 THR A 127 25.278 -0.939 11.195 1.00 0.00 H new ATOM 0 HG21 THR A 127 23.086 -0.461 12.494 1.00 0.00 H new ATOM 0 HG22 THR A 127 23.161 0.981 13.535 1.00 0.00 H new ATOM 0 HG23 THR A 127 22.984 1.163 11.773 1.00 0.00 H new ATOM 454 N LEU A 128 27.659 1.352 13.308 1.00 0.00 N ATOM 455 CA LEU A 128 29.114 1.257 13.294 1.00 0.00 C ATOM 456 C LEU A 128 29.600 0.447 12.100 1.00 0.00 C ATOM 457 O LEU A 128 30.770 0.522 11.721 1.00 0.00 O ATOM 458 CB LEU A 128 29.618 0.634 14.603 1.00 0.00 C ATOM 459 CG LEU A 128 29.387 1.481 15.860 1.00 0.00 C ATOM 460 CD1 LEU A 128 29.820 0.707 17.097 1.00 0.00 C ATOM 461 CD2 LEU A 128 30.159 2.787 15.743 1.00 0.00 C ATOM 0 H LEU A 128 27.212 0.858 14.081 1.00 0.00 H new ATOM 0 HA LEU A 128 29.519 2.265 13.204 1.00 0.00 H new ATOM 0 HB2 LEU A 128 29.129 -0.331 14.739 1.00 0.00 H new ATOM 0 HB3 LEU A 128 30.686 0.439 14.507 1.00 0.00 H new ATOM 0 HG LEU A 128 28.325 1.709 15.955 1.00 0.00 H new ATOM 0 HD11 LEU A 128 29.652 1.317 17.985 1.00 0.00 H new ATOM 0 HD12 LEU A 128 29.239 -0.212 17.173 1.00 0.00 H new ATOM 0 HD13 LEU A 128 30.879 0.462 17.020 1.00 0.00 H new ATOM 0 HD21 LEU A 128 29.994 3.388 16.637 1.00 0.00 H new ATOM 0 HD22 LEU A 128 31.223 2.573 15.641 1.00 0.00 H new ATOM 0 HD23 LEU A 128 29.814 3.337 14.867 1.00 0.00 H new ATOM 473 N GLY A 129 28.697 -0.329 11.509 1.00 0.00 N ATOM 474 CA GLY A 129 29.013 -1.094 10.309 1.00 0.00 C ATOM 475 C GLY A 129 28.678 -0.305 9.049 1.00 0.00 C ATOM 476 O GLY A 129 28.681 -0.850 7.945 1.00 0.00 O ATOM 0 H GLY A 129 27.740 -0.444 11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 129 30.072 -1.354 10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 129 28.455 -2.030 10.314 1.00 0.00 H new ATOM 480 N ARG A 130 28.394 0.980 9.221 1.00 0.00 N ATOM 481 CA ARG A 130 28.074 1.852 8.095 1.00 0.00 C ATOM 482 C ARG A 130 26.766 1.441 7.433 1.00 0.00 C ATOM 483 O ARG A 130 26.601 1.581 6.222 1.00 0.00 O ATOM 484 CB ARG A 130 29.211 1.924 7.086 1.00 0.00 C ATOM 485 CG ARG A 130 30.520 2.467 7.635 1.00 0.00 C ATOM 486 CD ARG A 130 31.636 2.482 6.655 1.00 0.00 C ATOM 487 NE ARG A 130 32.927 2.846 7.217 1.00 0.00 N ATOM 488 CZ ARG A 130 34.079 2.892 6.520 1.00 0.00 C ATOM 489 NH1 ARG A 130 34.115 2.561 5.248 1.00 0.00 N ATOM 490 NH2 ARG A 130 35.179 3.255 7.156 1.00 0.00 N ATOM 0 H ARG A 130 28.378 1.443 10.130 1.00 0.00 H new ATOM 0 HA ARG A 130 27.943 2.857 8.495 1.00 0.00 H new ATOM 0 HB2 ARG A 130 29.388 0.925 6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 130 28.897 2.550 6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 130 30.355 3.482 7.996 1.00 0.00 H new ATOM 0 HG3 ARG A 130 30.816 1.867 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 130 31.717 1.495 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 130 31.392 3.182 5.856 1.00 0.00 H new ATOM 0 HE ARG A 130 32.963 3.083 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 130 33.262 2.264 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 130 34.996 2.602 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 130 35.141 3.491 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 130 36.067 3.299 6.655 1.00 0.00 H new ATOM 504 N VAL A 131 25.837 0.929 8.237 1.00 0.00 N ATOM 505 CA VAL A 131 24.521 0.547 7.739 1.00 0.00 C ATOM 506 C VAL A 131 23.442 1.493 8.253 1.00 0.00 C ATOM 507 O VAL A 131 23.185 1.561 9.454 1.00 0.00 O ATOM 508 CB VAL A 131 24.162 -0.895 8.144 1.00 0.00 C ATOM 509 CG1 VAL A 131 22.771 -1.257 7.642 1.00 0.00 C ATOM 510 CG2 VAL A 131 25.193 -1.873 7.603 1.00 0.00 C ATOM 0 H VAL A 131 25.973 0.770 9.235 1.00 0.00 H new ATOM 0 HA VAL A 131 24.565 0.609 6.652 1.00 0.00 H new ATOM 0 HB VAL A 131 24.165 -0.958 9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.532 -2.279 7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 131 22.039 -0.575 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 131 22.744 -1.177 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 131 24.923 -2.887 7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.221 -1.808 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 131 26.175 -1.627 8.006 1.00 0.00 H new ATOM 520 N THR A 132 22.816 2.219 7.335 1.00 0.00 N ATOM 521 CA THR A 132 21.789 3.189 7.697 1.00 0.00 C ATOM 522 C THR A 132 20.443 2.511 7.916 1.00 0.00 C ATOM 523 O THR A 132 19.941 1.806 7.041 1.00 0.00 O ATOM 524 CB THR A 132 21.633 4.277 6.617 1.00 0.00 C ATOM 525 OG1 THR A 132 22.875 4.973 6.454 1.00 0.00 O ATOM 526 CG2 THR A 132 20.549 5.268 7.011 1.00 0.00 C ATOM 0 H THR A 132 23.001 2.155 6.334 1.00 0.00 H new ATOM 0 HA THR A 132 22.113 3.656 8.627 1.00 0.00 H new ATOM 0 HB THR A 132 21.350 3.799 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 132 22.775 5.663 5.766 1.00 0.00 H new ATOM 0 HG21 THR A 132 20.453 6.029 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 132 19.600 4.744 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 132 20.816 5.743 7.955 1.00 0.00 H new ATOM 534 N GLN A 133 19.860 2.728 9.092 1.00 0.00 N ATOM 535 CA GLN A 133 18.530 2.214 9.394 1.00 0.00 C ATOM 536 C GLN A 133 17.556 3.348 9.690 1.00 0.00 C ATOM 537 O GLN A 133 17.952 4.408 10.173 1.00 0.00 O ATOM 538 CB GLN A 133 18.585 1.256 10.586 1.00 0.00 C ATOM 539 CG GLN A 133 19.422 0.011 10.346 1.00 0.00 C ATOM 540 CD GLN A 133 19.431 -0.921 11.543 1.00 0.00 C ATOM 541 OE1 GLN A 133 18.908 -0.587 12.611 1.00 0.00 O ATOM 542 NE2 GLN A 133 20.031 -2.094 11.374 1.00 0.00 N ATOM 0 H GLN A 133 20.289 3.257 9.851 1.00 0.00 H new ATOM 0 HA GLN A 133 18.175 1.674 8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 133 18.986 1.789 11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 133 17.570 0.954 10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.035 -0.522 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.445 0.304 10.110 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.450 -2.328 10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.073 -2.761 12.144 1.00 0.00 H new ATOM 551 N PHE A 134 16.281 3.116 9.398 1.00 0.00 N ATOM 552 CA PHE A 134 15.269 4.160 9.506 1.00 0.00 C ATOM 553 C PHE A 134 14.308 3.881 10.655 1.00 0.00 C ATOM 554 O PHE A 134 13.894 2.741 10.867 1.00 0.00 O ATOM 555 CB PHE A 134 14.494 4.290 8.192 1.00 0.00 C ATOM 556 CG PHE A 134 15.326 4.790 7.046 1.00 0.00 C ATOM 557 CD1 PHE A 134 15.465 6.150 6.812 1.00 0.00 C ATOM 558 CD2 PHE A 134 15.972 3.901 6.199 1.00 0.00 C ATOM 559 CE1 PHE A 134 16.229 6.611 5.757 1.00 0.00 C ATOM 560 CE2 PHE A 134 16.738 4.360 5.144 1.00 0.00 C ATOM 561 CZ PHE A 134 16.866 5.715 4.923 1.00 0.00 C ATOM 0 H PHE A 134 15.924 2.214 9.084 1.00 0.00 H new ATOM 0 HA PHE A 134 15.780 5.100 9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 134 14.077 3.318 7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 134 13.654 4.968 8.342 1.00 0.00 H new ATOM 0 HD1 PHE A 134 14.970 6.857 7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 134 15.875 2.838 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 134 16.328 7.673 5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 134 17.236 3.657 4.493 1.00 0.00 H new ATOM 0 HZ PHE A 134 17.464 6.074 4.099 1.00 0.00 H new ATOM 571 N THR A 135 13.957 4.928 11.394 1.00 0.00 N ATOM 572 CA THR A 135 12.939 4.826 12.431 1.00 0.00 C ATOM 573 C THR A 135 12.039 6.056 12.441 1.00 0.00 C ATOM 574 O THR A 135 12.352 7.071 11.821 1.00 0.00 O ATOM 575 CB THR A 135 13.567 4.650 13.826 1.00 0.00 C ATOM 576 OG1 THR A 135 12.543 4.341 14.779 1.00 0.00 O ATOM 577 CG2 THR A 135 14.282 5.923 14.252 1.00 0.00 C ATOM 0 H THR A 135 14.364 5.858 11.293 1.00 0.00 H new ATOM 0 HA THR A 135 12.342 3.944 12.199 1.00 0.00 H new ATOM 0 HB THR A 135 14.290 3.835 13.782 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.945 4.228 15.666 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.720 5.781 15.240 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.070 6.155 13.536 1.00 0.00 H new ATOM 0 HG23 THR A 135 13.569 6.747 14.286 1.00 0.00 H new ATOM 585 N CYS A 136 10.919 5.958 13.151 1.00 0.00 N ATOM 586 CA CYS A 136 9.956 7.049 13.217 1.00 0.00 C ATOM 587 C CYS A 136 9.227 7.061 14.554 1.00 0.00 C ATOM 588 O CYS A 136 8.863 6.011 15.084 1.00 0.00 O ATOM 589 CB CYS A 136 8.989 6.715 12.080 1.00 0.00 C ATOM 590 SG CYS A 136 7.659 7.919 11.849 1.00 0.00 S ATOM 0 H CYS A 136 10.657 5.132 13.689 1.00 0.00 H new ATOM 0 HA CYS A 136 10.417 8.032 13.126 1.00 0.00 H new ATOM 0 HB2 CYS A 136 9.554 6.634 11.151 1.00 0.00 H new ATOM 0 HB3 CYS A 136 8.547 5.737 12.271 1.00 0.00 H new ATOM 0 HG CYS A 136 8.061 8.861 11.048 1.00 0.00 H new ATOM 596 N THR A 137 9.017 8.256 15.097 1.00 0.00 N ATOM 597 CA THR A 137 8.318 8.407 16.367 1.00 0.00 C ATOM 598 C THR A 137 7.126 9.346 16.231 1.00 0.00 C ATOM 599 O THR A 137 7.256 10.461 15.730 1.00 0.00 O ATOM 600 CB THR A 137 9.255 8.940 17.468 1.00 0.00 C ATOM 601 OG1 THR A 137 10.336 8.020 17.665 1.00 0.00 O ATOM 602 CG2 THR A 137 8.498 9.116 18.775 1.00 0.00 C ATOM 0 H THR A 137 9.321 9.134 14.677 1.00 0.00 H new ATOM 0 HA THR A 137 7.965 7.415 16.651 1.00 0.00 H new ATOM 0 HB THR A 137 9.645 9.908 17.154 1.00 0.00 H new ATOM 0 HG1 THR A 137 10.932 8.361 18.364 1.00 0.00 H new ATOM 0 HG21 THR A 137 9.176 9.493 19.540 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.683 9.825 18.631 1.00 0.00 H new ATOM 0 HG23 THR A 137 8.091 8.156 19.092 1.00 0.00 H new ATOM 610 N VAL A 138 5.963 8.885 16.683 1.00 0.00 N ATOM 611 CA VAL A 138 4.738 9.669 16.579 1.00 0.00 C ATOM 612 C VAL A 138 4.223 10.068 17.955 1.00 0.00 C ATOM 613 O VAL A 138 4.018 9.219 18.824 1.00 0.00 O ATOM 614 CB VAL A 138 3.635 8.896 15.833 1.00 0.00 C ATOM 615 CG1 VAL A 138 2.373 9.739 15.726 1.00 0.00 C ATOM 616 CG2 VAL A 138 4.116 8.482 14.451 1.00 0.00 C ATOM 0 H VAL A 138 5.844 7.973 17.124 1.00 0.00 H new ATOM 0 HA VAL A 138 4.986 10.567 16.013 1.00 0.00 H new ATOM 0 HB VAL A 138 3.402 7.996 16.401 1.00 0.00 H new ATOM 0 HG11 VAL A 138 1.604 9.177 15.196 1.00 0.00 H new ATOM 0 HG12 VAL A 138 2.016 9.988 16.725 1.00 0.00 H new ATOM 0 HG13 VAL A 138 2.593 10.656 15.180 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.324 7.937 13.938 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.377 9.370 13.875 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.993 7.842 14.548 1.00 0.00 H new ATOM 626 N GLU A 139 4.013 11.366 18.150 1.00 0.00 N ATOM 627 CA GLU A 139 3.573 11.886 19.439 1.00 0.00 C ATOM 628 C GLU A 139 2.067 12.122 19.452 1.00 0.00 C ATOM 629 O GLU A 139 1.567 13.038 18.800 1.00 0.00 O ATOM 630 CB GLU A 139 4.310 13.184 19.773 1.00 0.00 C ATOM 631 CG GLU A 139 3.967 13.770 21.136 1.00 0.00 C ATOM 632 CD GLU A 139 4.886 14.906 21.489 1.00 0.00 C ATOM 633 OE1 GLU A 139 5.759 15.203 20.709 1.00 0.00 O ATOM 634 OE2 GLU A 139 4.648 15.550 22.484 1.00 0.00 O ATOM 0 H GLU A 139 4.141 12.078 17.430 1.00 0.00 H new ATOM 0 HA GLU A 139 3.809 11.140 20.198 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.383 12.999 19.730 1.00 0.00 H new ATOM 0 HB3 GLU A 139 4.083 13.924 19.006 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.935 14.121 21.134 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.038 12.993 21.897 1.00 0.00 H new ATOM 641 N ILE A 140 1.350 11.290 20.199 1.00 0.00 N ATOM 642 CA ILE A 140 -0.103 11.389 20.277 1.00 0.00 C ATOM 643 C ILE A 140 -0.549 11.890 21.644 1.00 0.00 C ATOM 644 O ILE A 140 -0.322 11.234 22.662 1.00 0.00 O ATOM 645 CB ILE A 140 -0.777 10.034 19.993 1.00 0.00 C ATOM 646 CG1 ILE A 140 -0.331 9.490 18.634 1.00 0.00 C ATOM 647 CG2 ILE A 140 -2.291 10.172 20.044 1.00 0.00 C ATOM 648 CD1 ILE A 140 -0.669 10.396 17.472 1.00 0.00 C ATOM 0 H ILE A 140 1.752 10.539 20.760 1.00 0.00 H new ATOM 0 HA ILE A 140 -0.410 12.104 19.514 1.00 0.00 H new ATOM 0 HB ILE A 140 -0.471 9.326 20.764 1.00 0.00 H new ATOM 0 HG12 ILE A 140 0.747 9.328 18.654 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -0.797 8.518 18.472 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -2.752 9.205 19.841 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -2.592 10.517 21.033 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -2.616 10.893 19.294 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -0.321 9.942 16.544 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -1.749 10.539 17.424 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -0.181 11.361 17.609 1.00 0.00 H new ATOM 660 N GLY A 141 -1.183 13.057 21.663 1.00 0.00 N ATOM 661 CA GLY A 141 -1.679 13.641 22.903 1.00 0.00 C ATOM 662 C GLY A 141 -0.536 13.944 23.865 1.00 0.00 C ATOM 663 O GLY A 141 -0.732 13.992 25.080 1.00 0.00 O ATOM 0 H GLY A 141 -1.366 13.618 20.831 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.226 14.558 22.683 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.383 12.956 23.375 1.00 0.00 H new ATOM 667 N GLY A 142 0.655 14.151 23.315 1.00 0.00 N ATOM 668 CA GLY A 142 1.826 14.473 24.121 1.00 0.00 C ATOM 669 C GLY A 142 2.583 13.213 24.523 1.00 0.00 C ATOM 670 O GLY A 142 3.609 13.282 25.198 1.00 0.00 O ATOM 0 H GLY A 142 0.835 14.101 22.312 1.00 0.00 H new ATOM 0 HA2 GLY A 142 2.487 15.133 23.559 1.00 0.00 H new ATOM 0 HA3 GLY A 142 1.517 15.016 25.015 1.00 0.00 H new ATOM 674 N ILE A 143 2.068 12.062 24.102 1.00 0.00 N ATOM 675 CA ILE A 143 2.704 10.784 24.402 1.00 0.00 C ATOM 676 C ILE A 143 3.379 10.202 23.167 1.00 0.00 C ATOM 677 O ILE A 143 2.726 9.943 22.155 1.00 0.00 O ATOM 678 CB ILE A 143 1.691 9.764 24.952 1.00 0.00 C ATOM 679 CG1 ILE A 143 1.031 10.301 26.226 1.00 0.00 C ATOM 680 CG2 ILE A 143 2.373 8.432 25.224 1.00 0.00 C ATOM 681 CD1 ILE A 143 -0.135 9.466 26.706 1.00 0.00 C ATOM 0 H ILE A 143 1.212 11.988 23.552 1.00 0.00 H new ATOM 0 HA ILE A 143 3.457 10.979 25.165 1.00 0.00 H new ATOM 0 HB ILE A 143 0.915 9.606 24.202 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.779 10.354 27.017 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.687 11.319 26.045 1.00 0.00 H new ATOM 0 HG21 ILE A 143 1.643 7.722 25.612 1.00 0.00 H new ATOM 0 HG22 ILE A 143 2.798 8.045 24.298 1.00 0.00 H new ATOM 0 HG23 ILE A 143 3.167 8.573 25.957 1.00 0.00 H new ATOM 0 HD11 ILE A 143 -0.551 9.908 27.611 1.00 0.00 H new ATOM 0 HD12 ILE A 143 -0.902 9.434 25.933 1.00 0.00 H new ATOM 0 HD13 ILE A 143 0.207 8.453 26.920 1.00 0.00 H new ATOM 693 N LYS A 144 4.688 9.997 23.256 1.00 0.00 N ATOM 694 CA LYS A 144 5.477 9.570 22.106 1.00 0.00 C ATOM 695 C LYS A 144 5.467 8.053 21.966 1.00 0.00 C ATOM 696 O LYS A 144 5.658 7.328 22.940 1.00 0.00 O ATOM 697 CB LYS A 144 6.914 10.079 22.222 1.00 0.00 C ATOM 698 CG LYS A 144 7.058 11.590 22.101 1.00 0.00 C ATOM 699 CD LYS A 144 8.510 12.021 22.241 1.00 0.00 C ATOM 700 CE LYS A 144 8.651 13.534 22.158 1.00 0.00 C ATOM 701 NZ LYS A 144 10.065 13.970 22.311 1.00 0.00 N ATOM 0 H LYS A 144 5.226 10.120 24.114 1.00 0.00 H new ATOM 0 HA LYS A 144 5.023 9.998 21.212 1.00 0.00 H new ATOM 0 HB2 LYS A 144 7.322 9.763 23.182 1.00 0.00 H new ATOM 0 HB3 LYS A 144 7.518 9.606 21.448 1.00 0.00 H new ATOM 0 HG2 LYS A 144 6.671 11.918 21.136 1.00 0.00 H new ATOM 0 HG3 LYS A 144 6.456 12.077 22.868 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.905 11.669 23.194 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.107 11.555 21.457 1.00 0.00 H new ATOM 0 HE2 LYS A 144 8.266 13.882 21.200 1.00 0.00 H new ATOM 0 HE3 LYS A 144 8.042 13.998 22.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.117 15.007 22.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.426 13.660 23.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.642 13.548 21.556 1.00 0.00 H new ATOM 715 N TYR A 145 5.246 7.580 20.743 1.00 0.00 N ATOM 716 CA TYR A 145 5.363 6.157 20.440 1.00 0.00 C ATOM 717 C TYR A 145 6.343 5.915 19.300 1.00 0.00 C ATOM 718 O TYR A 145 6.161 6.423 18.193 1.00 0.00 O ATOM 719 CB TYR A 145 3.994 5.571 20.088 1.00 0.00 C ATOM 720 CG TYR A 145 2.954 5.748 21.173 1.00 0.00 C ATOM 721 CD1 TYR A 145 2.931 4.913 22.279 1.00 0.00 C ATOM 722 CD2 TYR A 145 1.997 6.749 21.085 1.00 0.00 C ATOM 723 CE1 TYR A 145 1.984 5.069 23.272 1.00 0.00 C ATOM 724 CE2 TYR A 145 1.045 6.916 22.073 1.00 0.00 C ATOM 725 CZ TYR A 145 1.042 6.073 23.166 1.00 0.00 C ATOM 726 OH TYR A 145 0.096 6.233 24.151 1.00 0.00 O ATOM 0 H TYR A 145 4.985 8.161 19.946 1.00 0.00 H new ATOM 0 HA TYR A 145 5.745 5.657 21.330 1.00 0.00 H new ATOM 0 HB2 TYR A 145 3.633 6.040 19.173 1.00 0.00 H new ATOM 0 HB3 TYR A 145 4.108 4.508 19.878 1.00 0.00 H new ATOM 0 HD1 TYR A 145 3.666 4.127 22.366 1.00 0.00 H new ATOM 0 HD2 TYR A 145 1.996 7.409 20.230 1.00 0.00 H new ATOM 0 HE1 TYR A 145 1.980 4.409 24.127 1.00 0.00 H new ATOM 0 HE2 TYR A 145 0.308 7.701 21.990 1.00 0.00 H new ATOM 0 HH TYR A 145 -0.490 6.985 23.923 1.00 0.00 H new ATOM 736 N THR A 146 7.385 5.138 19.578 1.00 0.00 N ATOM 737 CA THR A 146 8.410 4.847 18.582 1.00 0.00 C ATOM 738 C THR A 146 8.129 3.533 17.867 1.00 0.00 C ATOM 739 O THR A 146 8.011 2.483 18.501 1.00 0.00 O ATOM 740 CB THR A 146 9.812 4.784 19.217 1.00 0.00 C ATOM 741 OG1 THR A 146 10.126 6.047 19.817 1.00 0.00 O ATOM 742 CG2 THR A 146 10.859 4.452 18.165 1.00 0.00 C ATOM 0 H THR A 146 7.542 4.698 20.485 1.00 0.00 H new ATOM 0 HA THR A 146 8.384 5.662 17.859 1.00 0.00 H new ATOM 0 HB THR A 146 9.815 4.003 19.977 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.205 6.730 19.119 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.843 4.412 18.631 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.630 3.485 17.716 1.00 0.00 H new ATOM 0 HG23 THR A 146 10.855 5.221 17.392 1.00 0.00 H new ATOM 750 N GLY A 147 8.018 3.596 16.545 1.00 0.00 N ATOM 751 CA GLY A 147 7.718 2.415 15.744 1.00 0.00 C ATOM 752 C GLY A 147 8.962 1.558 15.540 1.00 0.00 C ATOM 753 O GLY A 147 10.072 1.967 15.879 1.00 0.00 O ATOM 0 H GLY A 147 8.131 4.454 16.005 1.00 0.00 H new ATOM 0 HA2 GLY A 147 6.944 1.826 16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 147 7.320 2.720 14.776 1.00 0.00 H new ATOM 757 N ALA A 148 8.768 0.366 14.985 1.00 0.00 N ATOM 758 CA ALA A 148 9.875 -0.544 14.719 1.00 0.00 C ATOM 759 C ALA A 148 10.797 0.009 13.639 1.00 0.00 C ATOM 760 O ALA A 148 10.337 0.477 12.597 1.00 0.00 O ATOM 761 CB ALA A 148 9.350 -1.914 14.318 1.00 0.00 C ATOM 0 H ALA A 148 7.853 0.008 14.711 1.00 0.00 H new ATOM 0 HA ALA A 148 10.455 -0.644 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 148 10.189 -2.582 14.123 1.00 0.00 H new ATOM 0 HB2 ALA A 148 8.742 -2.321 15.126 1.00 0.00 H new ATOM 0 HB3 ALA A 148 8.742 -1.822 13.418 1.00 0.00 H new ATOM 767 N ALA A 149 12.099 -0.044 13.895 1.00 0.00 N ATOM 768 CA ALA A 149 13.089 0.417 12.929 1.00 0.00 C ATOM 769 C ALA A 149 13.261 -0.585 11.795 1.00 0.00 C ATOM 770 O ALA A 149 13.305 -1.794 12.024 1.00 0.00 O ATOM 771 CB ALA A 149 14.420 0.675 13.618 1.00 0.00 C ATOM 0 H ALA A 149 12.494 -0.402 14.765 1.00 0.00 H new ATOM 0 HA ALA A 149 12.730 1.352 12.498 1.00 0.00 H new ATOM 0 HB1 ALA A 149 15.149 1.019 12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 149 14.291 1.438 14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 149 14.776 -0.246 14.079 1.00 0.00 H new ATOM 777 N THR A 150 13.359 -0.076 10.572 1.00 0.00 N ATOM 778 CA THR A 150 13.466 -0.927 9.394 1.00 0.00 C ATOM 779 C THR A 150 14.563 -0.438 8.458 1.00 0.00 C ATOM 780 O THR A 150 15.122 0.643 8.653 1.00 0.00 O ATOM 781 CB THR A 150 12.137 -0.992 8.620 1.00 0.00 C ATOM 782 OG1 THR A 150 11.825 0.304 8.091 1.00 0.00 O ATOM 783 CG2 THR A 150 11.009 -1.447 9.533 1.00 0.00 C ATOM 0 H THR A 150 13.367 0.924 10.371 1.00 0.00 H new ATOM 0 HA THR A 150 13.716 -1.926 9.752 1.00 0.00 H new ATOM 0 HB THR A 150 12.243 -1.709 7.806 1.00 0.00 H new ATOM 0 HG1 THR A 150 12.115 0.354 7.156 1.00 0.00 H new ATOM 0 HG21 THR A 150 10.078 -1.487 8.968 1.00 0.00 H new ATOM 0 HG22 THR A 150 11.237 -2.437 9.927 1.00 0.00 H new ATOM 0 HG23 THR A 150 10.903 -0.743 10.359 1.00 0.00 H new ATOM 791 N ARG A 151 14.869 -1.238 7.442 1.00 0.00 N ATOM 792 CA ARG A 151 15.879 -0.872 6.456 1.00 0.00 C ATOM 793 C ARG A 151 15.329 0.135 5.452 1.00 0.00 C ATOM 794 O ARG A 151 16.089 0.813 4.761 1.00 0.00 O ATOM 795 CB ARG A 151 16.467 -2.090 5.759 1.00 0.00 C ATOM 796 CG ARG A 151 17.344 -2.968 6.637 1.00 0.00 C ATOM 797 CD ARG A 151 17.904 -4.159 5.946 1.00 0.00 C ATOM 798 NE ARG A 151 18.726 -5.012 6.789 1.00 0.00 N ATOM 799 CZ ARG A 151 19.173 -6.233 6.436 1.00 0.00 C ATOM 800 NH1 ARG A 151 18.850 -6.763 5.278 1.00 0.00 N ATOM 801 NH2 ARG A 151 19.927 -6.895 7.298 1.00 0.00 N ATOM 0 H ARG A 151 14.431 -2.145 7.280 1.00 0.00 H new ATOM 0 HA ARG A 151 16.696 -0.393 6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 151 15.650 -2.695 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 151 17.054 -1.753 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 151 18.167 -2.367 7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 151 16.761 -3.301 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 151 17.082 -4.751 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 151 18.501 -3.824 5.097 1.00 0.00 H new ATOM 0 HE ARG A 151 18.982 -4.662 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 151 18.252 -6.249 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 151 19.197 -7.689 5.026 1.00 0.00 H new ATOM 0 HH21 ARG A 151 20.155 -6.479 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 151 20.281 -7.822 7.060 1.00 0.00 H new ATOM 815 N THR A 152 14.006 0.226 5.377 1.00 0.00 N ATOM 816 CA THR A 152 13.353 1.102 4.414 1.00 0.00 C ATOM 817 C THR A 152 12.554 2.193 5.114 1.00 0.00 C ATOM 818 O THR A 152 11.766 1.915 6.021 1.00 0.00 O ATOM 819 CB THR A 152 12.416 0.316 3.479 1.00 0.00 C ATOM 820 OG1 THR A 152 13.173 -0.658 2.749 1.00 0.00 O ATOM 821 CG2 THR A 152 11.729 1.255 2.499 1.00 0.00 C ATOM 0 H THR A 152 13.365 -0.297 5.973 1.00 0.00 H new ATOM 0 HA THR A 152 14.145 1.559 3.820 1.00 0.00 H new ATOM 0 HB THR A 152 11.657 -0.181 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 152 12.575 -1.159 2.155 1.00 0.00 H new ATOM 0 HG21 THR A 152 11.071 0.682 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 152 11.143 1.991 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 152 12.480 1.767 1.898 1.00 0.00 H new ATOM 829 N LYS A 153 12.761 3.436 4.694 1.00 0.00 N ATOM 830 CA LYS A 153 12.115 4.579 5.328 1.00 0.00 C ATOM 831 C LYS A 153 10.601 4.406 5.366 1.00 0.00 C ATOM 832 O LYS A 153 9.962 4.668 6.384 1.00 0.00 O ATOM 833 CB LYS A 153 12.478 5.873 4.600 1.00 0.00 C ATOM 834 CG LYS A 153 11.880 7.131 5.215 1.00 0.00 C ATOM 835 CD LYS A 153 12.344 8.380 4.481 1.00 0.00 C ATOM 836 CE LYS A 153 11.717 9.635 5.072 1.00 0.00 C ATOM 837 NZ LYS A 153 12.160 10.866 4.362 1.00 0.00 N ATOM 0 H LYS A 153 13.373 3.678 3.915 1.00 0.00 H new ATOM 0 HA LYS A 153 12.477 4.638 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 153 13.563 5.973 4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 153 12.148 5.797 3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 153 10.792 7.072 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 153 12.166 7.196 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 153 13.430 8.454 4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 153 12.082 8.303 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 153 10.631 9.557 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 153 11.981 9.710 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 11.710 11.698 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 13.194 10.955 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 11.886 10.807 3.361 1.00 0.00 H new ATOM 851 N LYS A 154 10.035 3.962 4.249 1.00 0.00 N ATOM 852 CA LYS A 154 8.593 3.775 4.144 1.00 0.00 C ATOM 853 C LYS A 154 8.093 2.759 5.163 1.00 0.00 C ATOM 854 O LYS A 154 7.032 2.936 5.763 1.00 0.00 O ATOM 855 CB LYS A 154 8.211 3.332 2.731 1.00 0.00 C ATOM 856 CG LYS A 154 8.368 4.412 1.669 1.00 0.00 C ATOM 857 CD LYS A 154 7.969 3.899 0.293 1.00 0.00 C ATOM 858 CE LYS A 154 8.149 4.970 -0.772 1.00 0.00 C ATOM 859 NZ LYS A 154 7.793 4.471 -2.128 1.00 0.00 N ATOM 0 H LYS A 154 10.553 3.725 3.403 1.00 0.00 H new ATOM 0 HA LYS A 154 8.118 4.733 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 154 8.825 2.475 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 154 7.175 2.993 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 154 7.753 5.273 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 154 9.403 4.754 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 154 8.571 3.027 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 154 6.929 3.574 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 154 7.528 5.832 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 154 9.184 5.312 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 7.929 5.231 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 8.402 3.664 -2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.798 4.168 -2.136 1.00 0.00 H new ATOM 873 N ASP A 155 8.864 1.694 5.357 1.00 0.00 N ATOM 874 CA ASP A 155 8.500 0.646 6.303 1.00 0.00 C ATOM 875 C ASP A 155 8.599 1.144 7.740 1.00 0.00 C ATOM 876 O ASP A 155 7.788 0.775 8.591 1.00 0.00 O ATOM 877 CB ASP A 155 9.390 -0.583 6.111 1.00 0.00 C ATOM 878 CG ASP A 155 9.088 -1.388 4.853 1.00 0.00 C ATOM 879 OD1 ASP A 155 8.063 -1.159 4.257 1.00 0.00 O ATOM 880 OD2 ASP A 155 9.949 -2.111 4.413 1.00 0.00 O ATOM 0 H ASP A 155 9.746 1.534 4.871 1.00 0.00 H new ATOM 0 HA ASP A 155 7.465 0.366 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 155 10.431 -0.262 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 155 9.282 -1.234 6.979 1.00 0.00 H new ATOM 885 N ALA A 156 9.596 1.981 8.004 1.00 0.00 N ATOM 886 CA ALA A 156 9.787 2.549 9.333 1.00 0.00 C ATOM 887 C ALA A 156 8.631 3.462 9.713 1.00 0.00 C ATOM 888 O ALA A 156 8.163 3.449 10.852 1.00 0.00 O ATOM 889 CB ALA A 156 11.107 3.303 9.401 1.00 0.00 C ATOM 0 H ALA A 156 10.285 2.281 7.314 1.00 0.00 H new ATOM 0 HA ALA A 156 9.814 1.729 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 156 11.236 3.722 10.399 1.00 0.00 H new ATOM 0 HB2 ALA A 156 11.928 2.619 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 156 11.104 4.109 8.667 1.00 0.00 H new ATOM 895 N GLU A 157 8.170 4.258 8.752 1.00 0.00 N ATOM 896 CA GLU A 157 7.112 5.228 9.002 1.00 0.00 C ATOM 897 C GLU A 157 5.766 4.538 9.185 1.00 0.00 C ATOM 898 O GLU A 157 4.998 4.882 10.084 1.00 0.00 O ATOM 899 CB GLU A 157 7.033 6.242 7.859 1.00 0.00 C ATOM 900 CG GLU A 157 8.201 7.216 7.801 1.00 0.00 C ATOM 901 CD GLU A 157 8.069 8.158 6.636 1.00 0.00 C ATOM 902 OE1 GLU A 157 7.178 7.971 5.844 1.00 0.00 O ATOM 903 OE2 GLU A 157 8.789 9.129 6.599 1.00 0.00 O ATOM 0 H GLU A 157 8.514 4.249 7.792 1.00 0.00 H new ATOM 0 HA GLU A 157 7.353 5.755 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 157 6.979 5.702 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 157 6.107 6.809 7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 157 8.248 7.786 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 157 9.136 6.662 7.719 1.00 0.00 H new ATOM 910 N ILE A 158 5.483 3.567 8.325 1.00 0.00 N ATOM 911 CA ILE A 158 4.215 2.847 8.371 1.00 0.00 C ATOM 912 C ILE A 158 4.137 1.950 9.602 1.00 0.00 C ATOM 913 O ILE A 158 3.046 1.615 10.066 1.00 0.00 O ATOM 914 CB ILE A 158 4.005 1.991 7.109 1.00 0.00 C ATOM 915 CG1 ILE A 158 2.528 1.617 6.957 1.00 0.00 C ATOM 916 CG2 ILE A 158 4.871 0.742 7.163 1.00 0.00 C ATOM 917 CD1 ILE A 158 2.188 1.003 5.618 1.00 0.00 C ATOM 0 H ILE A 158 6.115 3.259 7.586 1.00 0.00 H new ATOM 0 HA ILE A 158 3.427 3.599 8.422 1.00 0.00 H new ATOM 0 HB ILE A 158 4.303 2.577 6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 158 2.257 0.916 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 158 1.920 2.510 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 158 4.710 0.148 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 158 5.921 1.029 7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.604 0.152 8.040 1.00 0.00 H new ATOM 0 HD11 ILE A 158 1.125 0.765 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 158 2.426 1.710 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.768 0.091 5.478 1.00 0.00 H new ATOM 929 N SER A 159 5.295 1.565 10.122 1.00 0.00 N ATOM 930 CA SER A 159 5.360 0.766 11.340 1.00 0.00 C ATOM 931 C SER A 159 5.050 1.610 12.570 1.00 0.00 C ATOM 932 O SER A 159 4.446 1.129 13.528 1.00 0.00 O ATOM 933 CB SER A 159 6.726 0.122 11.471 1.00 0.00 C ATOM 934 OG SER A 159 7.731 1.067 11.724 1.00 0.00 O ATOM 0 H SER A 159 6.204 1.793 9.719 1.00 0.00 H new ATOM 0 HA SER A 159 4.605 -0.017 11.272 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.706 -0.610 12.278 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.961 -0.420 10.555 1.00 0.00 H new ATOM 0 HG SER A 159 7.486 1.923 11.314 1.00 0.00 H new ATOM 940 N ALA A 160 5.468 2.871 12.536 1.00 0.00 N ATOM 941 CA ALA A 160 5.145 3.814 13.600 1.00 0.00 C ATOM 942 C ALA A 160 3.660 4.156 13.599 1.00 0.00 C ATOM 943 O ALA A 160 3.029 4.223 14.655 1.00 0.00 O ATOM 944 CB ALA A 160 5.981 5.076 13.463 1.00 0.00 C ATOM 0 H ALA A 160 6.032 3.264 11.782 1.00 0.00 H new ATOM 0 HA ALA A 160 5.381 3.340 14.553 1.00 0.00 H new ATOM 0 HB1 ALA A 160 5.727 5.769 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 160 7.039 4.820 13.525 1.00 0.00 H new ATOM 0 HB3 ALA A 160 5.777 5.545 12.500 1.00 0.00 H new ATOM 950 N GLY A 161 3.109 4.373 12.411 1.00 0.00 N ATOM 951 CA GLY A 161 1.681 4.637 12.266 1.00 0.00 C ATOM 952 C GLY A 161 0.850 3.487 12.815 1.00 0.00 C ATOM 953 O GLY A 161 -0.120 3.699 13.543 1.00 0.00 O ATOM 0 H GLY A 161 3.629 4.372 11.533 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.424 5.558 12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 161 1.442 4.792 11.214 1.00 0.00 H new ATOM 957 N ARG A 162 1.235 2.264 12.463 1.00 0.00 N ATOM 958 CA ARG A 162 0.525 1.076 12.921 1.00 0.00 C ATOM 959 C ARG A 162 0.606 0.936 14.436 1.00 0.00 C ATOM 960 O ARG A 162 -0.393 0.653 15.097 1.00 0.00 O ATOM 961 CB ARG A 162 1.005 -0.186 12.219 1.00 0.00 C ATOM 962 CG ARG A 162 0.577 -0.312 10.766 1.00 0.00 C ATOM 963 CD ARG A 162 1.144 -1.491 10.060 1.00 0.00 C ATOM 964 NE ARG A 162 0.758 -1.599 8.663 1.00 0.00 N ATOM 965 CZ ARG A 162 1.197 -2.554 7.820 1.00 0.00 C ATOM 966 NH1 ARG A 162 2.063 -3.461 8.216 1.00 0.00 N ATOM 967 NH2 ARG A 162 0.752 -2.541 6.576 1.00 0.00 N ATOM 0 H ARG A 162 2.036 2.070 11.861 1.00 0.00 H new ATOM 0 HA ARG A 162 -0.523 1.206 12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.093 -0.219 12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 162 0.636 -1.052 12.768 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -0.511 -0.367 10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 162 0.872 0.592 10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 162 2.231 -1.447 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 162 0.832 -2.396 10.581 1.00 0.00 H new ATOM 0 HE ARG A 162 0.109 -0.903 8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 162 2.413 -3.448 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 162 2.385 -4.177 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 162 0.094 -1.821 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 162 1.066 -3.251 5.915 1.00 0.00 H new ATOM 981 N THR A 163 1.801 1.136 14.981 1.00 0.00 N ATOM 982 CA THR A 163 2.013 1.038 16.420 1.00 0.00 C ATOM 983 C THR A 163 1.170 2.061 17.171 1.00 0.00 C ATOM 984 O THR A 163 0.558 1.747 18.192 1.00 0.00 O ATOM 985 CB THR A 163 3.494 1.240 16.788 1.00 0.00 C ATOM 986 OG1 THR A 163 4.281 0.193 16.206 1.00 0.00 O ATOM 987 CG2 THR A 163 3.676 1.226 18.298 1.00 0.00 C ATOM 0 H THR A 163 2.639 1.367 14.447 1.00 0.00 H new ATOM 0 HA THR A 163 1.709 0.034 16.715 1.00 0.00 H new ATOM 0 HB THR A 163 3.819 2.206 16.402 1.00 0.00 H new ATOM 0 HG1 THR A 163 4.424 0.381 15.255 1.00 0.00 H new ATOM 0 HG21 THR A 163 4.729 1.370 18.539 1.00 0.00 H new ATOM 0 HG22 THR A 163 3.089 2.029 18.743 1.00 0.00 H new ATOM 0 HG23 THR A 163 3.341 0.268 18.696 1.00 0.00 H new ATOM 995 N ALA A 164 1.142 3.288 16.660 1.00 0.00 N ATOM 996 CA ALA A 164 0.375 4.360 17.281 1.00 0.00 C ATOM 997 C ALA A 164 -1.118 4.055 17.257 1.00 0.00 C ATOM 998 O ALA A 164 -1.820 4.268 18.244 1.00 0.00 O ATOM 999 CB ALA A 164 0.658 5.686 16.591 1.00 0.00 C ATOM 0 H ALA A 164 1.643 3.564 15.816 1.00 0.00 H new ATOM 0 HA ALA A 164 0.686 4.435 18.323 1.00 0.00 H new ATOM 0 HB1 ALA A 164 0.077 6.475 17.068 1.00 0.00 H new ATOM 0 HB2 ALA A 164 1.720 5.918 16.671 1.00 0.00 H new ATOM 0 HB3 ALA A 164 0.380 5.615 15.539 1.00 0.00 H new ATOM 1005 N LEU A 165 -1.597 3.553 16.123 1.00 0.00 N ATOM 1006 CA LEU A 165 -3.000 3.189 15.978 1.00 0.00 C ATOM 1007 C LEU A 165 -3.390 2.097 16.965 1.00 0.00 C ATOM 1008 O LEU A 165 -4.499 2.099 17.501 1.00 0.00 O ATOM 1009 CB LEU A 165 -3.284 2.737 14.540 1.00 0.00 C ATOM 1010 CG LEU A 165 -3.301 3.858 13.493 1.00 0.00 C ATOM 1011 CD1 LEU A 165 -3.402 3.264 12.095 1.00 0.00 C ATOM 1012 CD2 LEU A 165 -4.470 4.793 13.768 1.00 0.00 C ATOM 0 H LEU A 165 -1.032 3.389 15.290 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.603 4.070 16.197 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -2.531 2.004 14.251 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -4.248 2.229 14.520 1.00 0.00 H new ATOM 0 HG LEU A 165 -2.374 4.428 13.555 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.413 4.067 11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -2.545 2.616 11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -4.320 2.683 12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -4.482 5.589 13.024 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -5.404 4.233 13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -4.363 5.227 14.762 1.00 0.00 H new